N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide

C11H19ClF3NO — CID 54875676

IUPACN-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C11H19ClF3NO/c1-2-3-8-16(9-11(13,14)15)10(17)6-4-5-7-12/h2-9H2,1H3
InChIKeyBNVDWCJTRRTQAS-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.59
Rot. Bonds8

About N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide

N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54875676) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54875676
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC NameN-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C11H19ClF3NO/c1-2-3-8-16(9-11(13,14)15)10(17)6-4-5-7-12/h2-9H2,1H3
InChIKeyBNVDWCJTRRTQAS-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide (CID 54875676) is N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide is CCCCN(CC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is BNVDWCJTRRTQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-2-3-8-16(9-11(13,14)15)10(17)6-4-5-7-12/h2-9H2,1H3.
What are the key properties of N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 273.73 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54875676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).